N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine

C17H17NS — CID 21315894

IUPACN-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
SMILESCCN(C)c1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C17H17NS/c1-3-18(2)16-14-11-7-8-12-15(14)19-17(16)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3
InChIKeyPZPIPLALXKVZKA-UHFFFAOYSA-N
MW267.40 g/mol
LogP5.02
Rot. Bonds3

About N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine

N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine (PubChem CID 21315894) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
PubChem CID21315894
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC NameN-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
SMILESCCN(C)c1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C17H17NS/c1-3-18(2)16-14-11-7-8-12-15(14)19-17(16)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3
InChIKeyPZPIPLALXKVZKA-UHFFFAOYSA-N
XLogP5.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-phenyl-1-benzothiophen-3-amine
CID 16640362
N,N-diethyl-2-(4-methylsulfanylphenyl)-1-benzothiophen-3-amine
CID 21315910
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine
CID 15700633
3-methylsulfanyl-2-phenyl-1-benzothiophene
CID 15572646
2-phenyl-3-[(1S)-1-phenylethyl]-1-benzothiophene
CID 134837415
3-fluoro-2-phenylthiochromen-4-one
CID 11097189
2-phenyl-3-[(2-phenyl-1-benzothiophen-3-yl)sulfonyl]-1-benzothiophene
CID 170560290
N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide
CID 16639892
4,5-dichloro-N-ethyl-N-methyl-2-phenyl-1H-pyrrol-3-amine
CID 141172749
ethyl 2-hydroxy-2-(2-phenyl-1-benzothiophen-3-yl)acetate
CID 70813709
N3-Methyl-N3-phenylbenzo [b]thiophene-2,3-diamine hydrochloride
CID 140841356

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine?
The IUPAC name of N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine (CID 21315894) is N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine?
The canonical SMILES for N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine is CCN(C)c1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine?
The InChIKey is PZPIPLALXKVZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-3-18(2)16-14-11-7-8-12-15(14)19-17(16)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine?
N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine has a molecular weight of 267.40 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-phenyl-1-benzothiophen-3-amine is sourced from PubChem (CID 21315894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).